SCHEMBL28402002

SCHEMBL28402002

Cc1ccccc1C(=O)Nc1cc(C(F)(F)F)nn1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
CRACR2A Q9BSW2 3/20 0.54
TP53 P04637 2/20 0.54
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DHODH Q02127 1/20 0.46
TYK2 P29597 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.45
ADCY8 P40145 1/20 0.44
ADCY1 Q08828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX12 P18054 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28397911 0.87 KMT2A (0.52) CRACR2AKMT2AHPGDPOLBRECQL
SCHEMBL28397884 0.87 RECQL (0.60) TP53RXFP1RAB9ARECQLALDH1A1
SCHEMBL29047734 0.86 RXFP1 (0.46) MAPTCRACR2ATP53KMT2ARXFP1
SCHEMBL30546957 0.86 RXFP1 (0.46) MAPTCRACR2ATP53KMT2ARXFP1
SCHEMBL28398111 0.86 STIM1 (0.53) KMT2ARXFP1HPGDNPC1RAB9A
SCHEMBL28398322 0.84 MAPT (0.59) MAPTTP53KMT2ARXFP1NPC1
SCHEMBL28407306 0.82 POLB (0.52) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL13056023 0.82 MAPT (0.47) MAPTTP53KMT2AHPGDNPC1
SCHEMBL29047658 0.82 RXFP1 (0.57) MAPTCRACR2AKMT2ARXFP1SMN1; SMN2
SCHEMBL30546927 0.82 RXFP1 (0.57) MAPTCRACR2AKMT2ARXFP1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187215-B Fluorine-containing pyrazole amide derivative, preparation method and application thereof 西北农林科技大学 2023-02-24 CN disclosed
CN-111187215-A Fluorine-containing pyrazole amide derivative, preparation method and application thereof 西北农林科技大学 2020-05-22 CN disclosed